SCHEMBL7212977

SCHEMBL7212977

CCOC1CC(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)(C(=O)O)C(C(N)=O)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.47
MMP13 P45452 15/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP3 P08254 2/20 0.47
MMP8 P22894 2/20 0.47
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7212961 0.91 MMP1 (0.48) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7208593 0.90 MMP13 (0.45) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7208592 0.88 MMP1 (0.45) MMP1MMP13MMP2MMP9MMP3
SCHEMBL25364 0.79 MMP1 (0.52) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7209169 0.73 MMP1 (0.43) MMP1MMP13MMP2MMP14
SCHEMBL7212973 0.73 MMP1 (0.62) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7207012 0.71 MMP13 (0.49) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6962253 0.70 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7209180 0.70 MMP1 (0.57) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7212996 0.70 MMP1 (0.42) MMP1MMP13MMP2MMP14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181285-B1 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-10-08 EP disclosed
EP-1181285-A2 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2002-02-27 EP disclosed
US-6342521-B1 DRUGS FOR TREATMENT OF ARTHRITIS PFIZER INC. 2002-01-29 US disclosed
WO-2000073294-A2 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed